SCHEMBL27786011

SCHEMBL27786011

COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4C=O)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.36
▸ BRD7 Q9NPI1 1/20 0.36
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ ERN1 O75460 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27807913 0.98 BRD9 (0.36) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL27807942 0.89 PIK3CA (0.42) GABRG2GABRB3GABRA2PIK3CA
SCHEMBL27807931 0.87 PIK3CA (0.43) GABRG2GABRB3GABRA2PIK3CA
SCHEMBL27807948 0.86 GABRG2 (0.49) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL27785957 0.85 PIK3CA (0.39) GABRG2GABRB3GABRA2PIK3CA
SCHEMBL27786151 0.84 BRD9 (0.37) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL27785948 0.84 GABRG2 (0.34) GABRG2GABRB3GABRA2PIK3CA
SCHEMBL27807904 0.84 PIK3CA (0.42) PIK3CA
SCHEMBL27786149 0.82 PIK3CA (0.42) GABRG2GABRB3GABRA2PIK3CA
SCHEMBL27785937 0.81 ADORA2A (0.32) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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